Crystallography Open Database

Information card for entry 7128593

Preview

Coordinates	7128593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H94 N8 Pd6 Si4
Calculated formula	C83 H58 N7 Pd6 Si4
Title of publication	Nuclearity expansion in Pd clusters triggered by the migration of a phenyl group in cyclooligosilanes.
Authors of publication	Shimamoto, Kento; Sunada, Yusuke
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	62
Pages of publication	7649 - 7652
a	16.2926 ± 0.0006 Å
b	26.0709 ± 0.001 Å
c	40.5668 ± 0.0015 Å
α	90°
β	97.103 ± 0.003°
γ	90°
Cell volume	17099 ± 1.1 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2807
Residual factor for significantly intense reflections	0.0876
Weighted residual factors for significantly intense reflections	0.1529
Weighted residual factors for all reflections included in the refinement	0.217
Goodness-of-fit parameter for all reflections included in the refinement	0.962
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268500 (current)	2021-09-06	cif/ Updating files of 7128591, 7128592, 7128593, 7128594 Original log message: Adding full bibliography for 7128591--7128594.cif.	7128593.cif
267309	2021-07-07	cif/ Adding structures of 7128591, 7128592, 7128593, 7128594 via cif-deposit CGI script.	7128593.cif